CID 16447969

624725-77-5

Structural Information

Molecular Formula
C17H17N5O2S
SMILES
CCOC1=CC=C(C=C1)C2=NNC(=S)N2N/N=C/C3=CC(=CC=C3)O
InChI
InChI=1S/C17H17N5O2S/c1-2-24-15-8-6-13(7-9-15)16-19-20-17(25)22(16)21-18-11-12-4-3-5-14(23)10-12/h3-11,21,23H,2H2,1H3,(H,20,25)/b18-11+
InChIKey
JRYQRNMVBZMTNQ-WOJGMQOQSA-N
Compound name
3-(4-ethoxyphenyl)-4-[(2E)-2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-1H-1,2,4-triazole-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.1103 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.11758 180.7
[M+Na]+ 378.09952 189.7
[M-H]- 354.10302 186.4
[M+NH4]+ 373.14412 190.8
[M+K]+ 394.07346 182.0
[M+H-H2O]+ 338.10756 171.0
[M+HCOO]- 400.10850 198.7
[M+CH3COO]- 414.12415 190.5
[M+Na-2H]- 376.08497 182.5
[M]+ 355.10975 182.6
[M]- 355.11085 182.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.